| CAS Number | 251307-20-7 |
| Catalog Number | AG00IMZ3(AGN-PC-0WAPDB) |
| Chemical Name | dimethyl 3-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazono}pentanedioate |
| IUPAC Name | dimethyl 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]pentanedioate |
| InChI | InChI=1S/C13H13ClF3N3O4/c1-23-10(21)4-8(5-11(22)24-2)19-20-12-9(14)3-7(6-18-12)13(15,16)17/h3,6H,4-5H2,1-2H3,(H,18,20) |
| InChI Key | JMHGXHNNGPJHEQ-UHFFFAOYSA-N |
| MDL Number | MFCD00215201 |
| Molecular Formula | C13H13ClF3N3O4 |
| Molecular Weight | 367.7082 |
| SMILES | COC(=O)CC(CC(=O)OC)=NNC1=C(Cl)C=C(C=N1)C(F)(F)F |
| Synonyms | 251307-20-7,
dimethyl 3-{2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazono}pentanedioate,
1,5-dimethyl 3-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazin-1-ylidene}pentanedioate,
AC1MCAUV,
Bionet1_001126,
HMS571E08,
KS-00001QPA,
ZINC4002076,
AKOS005074704,
MCULE-7893698521,
10H-056,
dimethyl 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]pentanedioate,
ZINC04002076,
CID2765144,
|
| Complexity | 468 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.709g/mol |
| Monoisotopic Mass | 367.055g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 89.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number